Crystallography Open Database

Information card for entry 1575815

Preview

Coordinates	1575815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5
Calculated formula	C37.5 H59.5 Cl1.5 F24 N5 O17 Ti5
Title of publication	Exploring untapped potential of the molecular precursor approach to control the fluorine-doping in mesostructured titania for acid catalysis
Authors of publication	Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank
Journal of publication	Catalysis Science & Technology
Year of publication	2025
a	15.4951 ± 0.0001 Å
b	13.2894 ± 0.0001 Å
c	32.9588 ± 0.0002 Å
α	90°
β	94.742 ± 0.001°
γ	90°
Cell volume	6763.66 ± 0.08 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302169 (current)	2025-09-18	cif/ Adding structures of 1575809, 1575810, 1575811, 1575812, 1575813, 1575814, 1575815, 1575816 via cif-deposit CGI script.	1575815.cif